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3A,4,5,6,7,8-HEXAHYDROCYCLOHEPTA-[E]-PYRAZOL-3(2H)-ONE
SpectraBase Compound ID 3ram5qLDmck
InChI InChI=1S/C8H12N2O/c11-8-6-4-2-1-3-5-7(6)9-10-8/h1-5H2,(H2,9,10,11)
InChIKey QXVHMLFNQLFORJ-UHFFFAOYSA-N
Mol Weight 152.2 g/mol
Molecular Formula C8H12N2O
Exact Mass 152.094963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5tgSUIlswDu
Name 3A,4,5,6,7,8-HEXAHYDROCYCLOHEPTA-[E]-PYRAZOL-3(2H)-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12N2O
InChI InChI=1S/C8H12N2O/c11-8-6-4-2-1-3-5-7(6)9-10-8/h1-5H2,(H2,9,10,11)
InChIKey QXVHMLFNQLFORJ-UHFFFAOYSA-N
Literature Reference Author R.V.RAGAVAN,K.M.KUMAR,V.VIJAYAKUMAR,S.SARVESWARI,S.RAMAIAH,A .ANBARASU,S.KARTHIKE
Literature Reference Citation ORG.MED.CHEM.LETT.,3,6(2013)
Literature Reference DOI 10.1186/2191-2858-3-6
Molecular Weight 152.196 g/mol
Solvent DMSO-D6;0.05M
Source File Reference UWLU976321